N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine

C116H78N4 — CID 134387037

IUPACN-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccncc3)c3cccc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccc(-c6ccc(N(c7cccc(-c8ccc9c%10c(cccc8%10)-c8c-9c(-c9ccccc9)c9ccccc9c8-c8ccccc8)c7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cn6)cc5c4-c4ccccc4)c3)cc21
InChIInChI=1S/C116H78N4/c1-115(2)100-47-21-19-39-86(100)88-54-50-81(68-102(88)115)119(78-61-63-117-64-62-78)79-37-23-35-75(65-79)84-57-59-98-110-91(84)44-26-46-96(110)112-108(74-33-15-8-16-34-74)99-67-77(49-53-94(99)107(114(98)112)73-31-13-7-14-32-73)104-60-52-83(70-118-104)120(82-51-55-89-87-40-20-22-48-101(87)116(3,4)103(89)69-82)80-38-24-36-76(66-80)85-56-58-97-109-90(85)43-25-45-95(109)111-105(71-27-9-5-10-28-71)92-41-17-18-42-93(92)106(113(97)111)72-29-11-6-12-30-72/h5-70H,1-4H3
InChIKeyXTSDCHOZXJIXKA-UHFFFAOYSA-N
MW1527.93 g/mol
LogP31.61
Rot. Bonds13

About N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine

N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine (PubChem CID 134387037) has the molecular formula C116H78N4 and a molecular weight of 1527.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine
PubChem CID134387037
Molecular FormulaC116H78N4
Molecular Weight1527.93 g/mol
Exact Mass1526.62
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccncc3)c3cccc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccc(-c6ccc(N(c7cccc(-c8ccc9c%10c(cccc8%10)-c8c-9c(-c9ccccc9)c9ccccc9c8-c8ccccc8)c7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cn6)cc5c4-c4ccccc4)c3)cc21
InChIInChI=1S/C116H78N4/c1-115(2)100-47-21-19-39-86(100)88-54-50-81(68-102(88)115)119(78-61-63-117-64-62-78)79-37-23-35-75(65-79)84-57-59-98-110-91(84)44-26-46-96(110)112-108(74-33-15-8-16-34-74)99-67-77(49-53-94(99)107(114(98)112)73-31-13-7-14-32-73)104-60-52-83(70-118-104)120(82-51-55-89-87-40-20-22-48-101(87)116(3,4)103(89)69-82)80-38-24-36-76(66-80)85-56-58-97-109-90(85)43-25-45-95(109)111-105(71-27-9-5-10-28-71)92-41-17-18-42-93(92)106(113(97)111)72-29-11-6-12-30-72/h5-70H,1-4H3
InChIKeyXTSDCHOZXJIXKA-UHFFFAOYSA-N
XLogP31.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001527.93
LogP ≤ 531.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine with MolForge

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Related Compounds

N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-naphthalen-1-yl-6-[3-[3-[naphthalen-1-yl(pyridin-4-yl)amino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]pyridin-3-amine
CID 134387092
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988852
N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine
CID 166714002
3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988802
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 168771528
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine (CID 134387037) is N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccncc3)c3cccc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccc(-c6ccc(N(c7cccc(-c8ccc9c%10c(cccc8%10)-c8c-9c(-c9ccccc9)c9ccccc9c8-c8ccccc8)c7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cn6)cc5c4-c4ccccc4)c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine?
The InChIKey is XTSDCHOZXJIXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H78N4/c1-115(2)100-47-21-19-39-86(100)88-54-50-81(68-102(88)115)119(78-61-63-117-64-62-78)79-37-23-35-75(65-79)84-57-59-98-110-91(84)44-26-46-96(110)112-108(74-33-15-8-16-34-74)99-67-77(49-53-94(99)107(114(98)112)73-31-13-7-14-32-73)104-60-52-83(70-118-104)120(82-51-55-89-87-40-20-22-48-101(87)116(3,4)103(89)69-82)80-38-24-36-76(66-80)85-56-58-97-109-90(85)43-25-45-95(109)111-105(71-27-9-5-10-28-71)92-41-17-18-42-93(92)106(113(97)111)72-29-11-6-12-30-72/h5-70H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine?
N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine has a molecular weight of 1527.93 g/mol, XLogP of 31.61, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine is sourced from PubChem (CID 134387037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).